==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, METAL BINDING PROTEIN 27-DEC-05 2FHX . COMPND 2 MOLECULE: SPM-1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.A.MURPHY,L.E.CATTO,S.E.HALFORD,A.T.HADFIELD,W.MINOR,T.R.WA . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 3 1 0 1 1 0 0 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 6 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 35 A D 0 0 149 0, 0.0 12,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -36.0 -28.2 79.3 50.2 2 36 A H E +A 12 0A 105 10,-0.2 2,-0.4 2,-0.0 10,-0.2 -0.973 360.0 178.4-136.9 127.8 -29.7 82.0 47.9 3 37 A V E -A 11 0A 63 8,-2.5 8,-2.3 -2,-0.4 2,-0.5 -0.980 24.6-135.8-127.0 141.6 -28.3 85.4 47.2 4 38 A D E -A 10 0A 76 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.797 29.0-167.9 -83.2 130.0 -29.4 88.3 45.0 5 39 A L - 0 0 4 4,-3.0 4,-0.5 -2,-0.5 3,-0.5 -0.772 27.1 -93.3-115.3 164.1 -26.5 89.8 43.1 6 40 A P S > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.198 106.4 44.7 -65.8 169.2 -26.1 93.0 41.1 7 41 A Y T 3 S- 0 0 33 1,-0.2 18,-0.3 350,-0.1 3,-0.1 0.753 131.9 -73.7 64.2 26.0 -26.8 92.9 37.3 8 42 A N T 3 S+ 0 0 18 -3,-0.5 16,-2.4 1,-0.2 17,-0.3 0.794 96.1 139.6 58.5 31.7 -29.9 90.8 37.9 9 43 A L E < - B 0 23A 2 -3,-1.1 -4,-3.0 -4,-0.5 2,-0.3 -0.742 32.8-165.3 -97.5 153.5 -27.8 87.7 38.8 10 44 A T E -AB 4 22A 8 12,-1.9 12,-2.3 -2,-0.3 2,-0.4 -0.945 10.1-149.2-130.8 157.2 -28.5 85.2 41.5 11 45 A A E -AB 3 21A 2 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.4 -0.995 15.0-173.6-126.7 128.3 -26.5 82.5 43.2 12 46 A T E -AB 2 20A 35 8,-2.6 8,-2.6 -2,-0.4 2,-0.3 -0.978 21.5-131.0-126.3 128.3 -28.2 79.4 44.6 13 47 A K E + B 0 19A 84 -12,-3.2 6,-0.3 -2,-0.4 3,-0.1 -0.575 27.5 170.4 -75.5 129.3 -26.5 76.6 46.6 14 48 A I E - 0 0 26 4,-3.3 2,-0.3 1,-0.5 5,-0.2 0.551 67.2 -10.2-115.5 -11.0 -27.3 73.1 45.3 15 49 A D E > S- B 0 18A 53 3,-1.2 3,-2.2 0, 0.0 -1,-0.5 -0.928 100.8 -54.4-170.5 165.5 -24.9 71.0 47.4 16 50 A S T 3 S- 0 0 68 -2,-0.3 19,-0.1 1,-0.3 3,-0.1 -0.368 128.6 -0.6 -48.8 126.3 -22.0 71.6 49.7 17 51 A D T 3 S+ 0 0 64 1,-0.1 18,-3.1 17,-0.1 2,-0.4 0.564 112.3 107.0 68.6 10.1 -19.5 73.8 47.7 18 52 A V E < +BC 15 34A 4 -3,-2.2 -4,-3.3 16,-0.2 -3,-1.2 -0.980 40.6 170.1-129.4 125.0 -21.7 73.8 44.6 19 53 A F E -BC 13 33A 42 14,-2.9 14,-3.0 -2,-0.4 2,-0.5 -0.923 26.5-141.0-129.5 151.4 -23.7 76.8 43.3 20 54 A V E -BC 12 32A 0 -8,-2.6 -8,-2.6 -2,-0.3 2,-0.5 -0.972 16.8-157.8-109.6 128.3 -25.7 77.7 40.2 21 55 A V E -BC 11 31A 3 10,-3.3 10,-2.6 -2,-0.5 2,-0.4 -0.925 15.9-168.1-107.5 130.9 -25.3 81.3 39.1 22 56 A T E -BC 10 30A 10 -12,-2.3 -12,-1.9 -2,-0.5 2,-0.7 -0.925 23.7-142.3-129.7 138.2 -28.1 82.6 36.9 23 57 A D E > -BC 9 29A 6 6,-1.8 6,-1.3 -2,-0.4 5,-0.7 -0.900 12.3-167.1 -98.7 110.5 -28.8 85.6 34.8 24 59 A R T 5S+ 0 0 56 -16,-2.4 3,-0.4 -2,-0.7 -1,-0.1 0.641 86.2 55.5 -70.1 -21.4 -32.5 86.6 35.1 25 60 A D T 5S+ 0 0 29 -17,-0.3 2,-0.9 -18,-0.3 -1,-0.2 0.864 103.1 58.0 -75.6 -35.7 -32.4 88.9 32.1 26 61 A F T > 5S- 0 0 16 -3,-0.2 3,-0.7 1,-0.1 -1,-0.2 -0.415 130.5 -79.6 -97.9 54.7 -31.2 86.2 29.8 27 67 A Y T 3 5S- 0 0 30 -2,-0.9 194,-0.2 -3,-0.4 -3,-0.2 0.839 84.6 -61.0 56.0 42.0 -33.9 83.6 30.2 28 68 A S T 3 - 0 0 7 4,-3.8 3,-1.7 -2,-0.5 115,-0.1 -0.446 28.9-106.6 -81.3 163.6 -13.0 71.3 45.0 37 77 A L T 3 S+ 0 0 131 1,-0.3 -1,-0.1 113,-0.2 114,-0.1 0.824 118.8 58.6 -61.2 -30.2 -11.5 70.2 48.3 38 78 A D T 3 S- 0 0 44 112,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.371 124.6 -98.9 -83.4 6.1 -8.1 71.5 47.3 39 79 A G S < S+ 0 0 6 -3,-1.7 28,-2.6 1,-0.3 29,-0.8 0.347 78.8 137.4 99.8 -8.5 -9.4 75.1 46.8 40 79AA T E - f 0 68A 3 26,-0.2 -4,-3.8 27,-0.2 2,-0.5 -0.536 41.9-150.9 -71.1 134.8 -9.8 74.9 43.0 41 80 A V E -Ef 35 69A 0 27,-2.6 29,-2.5 -6,-0.2 2,-0.5 -0.958 6.5-158.5-108.4 126.3 -13.0 76.4 41.7 42 81 A V E -Ef 34 70A 0 -8,-3.2 -8,-3.1 -2,-0.5 2,-0.5 -0.888 4.6-164.1-103.5 129.8 -14.4 74.9 38.5 43 82 A I E -Ef 33 71A 0 27,-2.9 29,-3.1 -2,-0.5 2,-0.5 -0.965 3.7-156.8-115.6 128.3 -16.8 77.1 36.5 44 83 A V E -Ef 32 72A 0 -12,-2.9 -12,-2.0 -2,-0.5 29,-0.2 -0.931 60.4 -17.3-112.3 126.9 -19.0 75.4 33.8 45 84 A S S S- 0 0 6 27,-2.6 27,-0.2 -2,-0.5 -14,-0.1 -0.349 78.2-118.3 73.6-162.5 -20.3 77.6 31.0 46 85 A S - 0 0 0 -16,-0.2 36,-0.2 -2,-0.1 35,-0.1 -0.984 18.2 -90.5-162.5 158.3 -20.4 81.4 31.3 47 86 A P - 0 0 6 0, 0.0 33,-0.4 0, 0.0 35,-0.1 -0.263 51.4-104.1 -65.6 169.8 -22.6 84.5 31.3 48 87 A F S S+ 0 0 11 31,-0.1 2,-0.2 34,-0.1 33,-0.1 0.772 89.7 6.9 -71.2 -27.6 -23.1 86.1 27.8 49 88 A E S > S- 0 0 58 34,-0.1 4,-2.2 35,-0.0 5,-0.2 -0.831 84.8 -80.0-152.8-176.1 -20.8 89.0 28.2 50 89 A N H > S+ 0 0 60 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.838 116.3 51.6 -66.5 -40.7 -18.1 90.9 30.2 51 90 A L H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 114.0 44.8 -65.9 -43.8 -20.2 92.7 32.8 52 91 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 115.1 48.4 -60.3 -44.8 -22.0 89.5 33.8 53 92 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.895 110.9 49.4 -67.6 -38.7 -18.7 87.5 33.9 54 93 A Q H X S+ 0 0 18 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.922 110.8 50.5 -67.0 -41.0 -16.9 90.1 35.9 55 94 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.942 112.2 47.9 -57.7 -48.8 -19.8 90.2 38.5 56 95 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.915 111.7 49.4 -54.8 -48.6 -19.6 86.3 38.7 57 96 A M H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.867 109.4 51.6 -66.2 -37.4 -15.9 86.3 39.1 58 97 A D H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.872 109.7 49.6 -65.2 -38.1 -16.1 89.0 41.9 59 98 A W H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.915 110.5 51.1 -64.7 -42.4 -18.7 86.8 43.7 60 99 A V H X>S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.8 0.922 110.3 49.6 -59.4 -45.1 -16.4 83.8 43.4 61 100 A A H X5S+ 0 0 44 -4,-2.4 4,-0.9 3,-0.2 -2,-0.2 0.942 116.5 40.8 -58.5 -48.3 -13.5 85.8 44.8 62 103 A K H <5S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.869 126.7 29.8 -72.3 -39.0 -15.5 87.0 47.8 63 104 A T H <5S+ 0 0 78 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.745 130.6 28.8 -98.3 -22.9 -17.4 83.9 48.7 64 105 A M H <5S- 0 0 8 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.617 75.8-151.5-114.1 -17.7 -15.1 81.0 47.6 65 106 A K << - 0 0 70 -4,-0.9 -4,-0.2 -5,-0.8 -3,-0.1 0.908 28.3-150.2 42.1 60.7 -11.5 82.4 47.9 66 107 A P - 0 0 39 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.258 23.4-152.9 -63.4 143.2 -10.3 80.1 45.1 67 108 A K S S- 0 0 179 -28,-2.6 2,-0.3 1,-0.4 -27,-0.2 0.738 87.3 -10.1 -76.8 -23.3 -6.7 78.8 45.0 68 109 A K E -f 40 0A 77 -29,-0.8 -27,-2.6 2,-0.0 2,-0.4 -0.951 68.7-134.1-170.0 151.0 -7.1 78.6 41.3 69 110 A V E -f 41 0A 17 -2,-0.3 24,-2.5 22,-0.2 2,-0.5 -0.983 13.7-173.3-124.2 132.3 -10.0 78.8 38.7 70 111 A V E -fg 42 93A 1 -29,-2.5 -27,-2.9 -2,-0.4 2,-0.5 -0.995 9.0-163.3-122.1 121.8 -10.7 76.5 35.8 71 112 A A E -fg 43 94A 0 22,-2.8 24,-2.6 -2,-0.5 2,-0.6 -0.936 1.9-158.7-110.0 131.7 -13.4 77.4 33.4 72 113 A I E -fg 44 95A 0 -29,-3.1 -27,-2.6 -2,-0.5 2,-0.4 -0.937 10.6-142.5-114.2 115.9 -14.9 74.8 31.0 73 114 A N - 0 0 0 22,-3.2 24,-0.3 -2,-0.6 8,-0.1 -0.606 6.9-163.1 -72.6 127.0 -16.8 76.0 27.8 74 115 A T - 0 0 4 -2,-0.4 95,-2.4 1,-0.3 2,-0.3 0.804 68.7 -23.8 -81.4 -32.4 -19.8 73.8 27.1 75 116 A H S S- 0 0 2 2,-0.2 -1,-0.3 93,-0.2 93,-0.1 -0.952 73.2 -86.2-169.7 178.2 -20.1 74.9 23.4 76 117 A F S S+ 0 0 6 -2,-0.3 4,-0.1 4,-0.1 5,-0.1 0.617 87.1 102.1 -80.7 -12.1 -19.3 77.8 21.1 77 118 A H S > S- 0 0 20 2,-0.2 4,-2.2 1,-0.1 5,-0.4 -0.140 92.2 -96.0 -65.5 167.0 -22.4 80.0 21.8 78 119 A L H > S+ 0 0 26 1,-0.2 4,-3.0 2,-0.2 2,-1.8 0.859 123.0 64.6 -56.6 -42.1 -22.1 83.1 24.0 79 120 A D H 4 S+ 0 0 10 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 -0.648 115.6 29.9 -76.2 82.1 -23.4 81.0 27.0 80 121 A G H 4 S+ 0 0 0 -2,-1.8 -2,-0.2 -33,-0.4 -1,-0.2 -0.233 135.7 24.5 156.4 -54.8 -20.2 78.9 26.7 81 122 A T H >< S+ 0 0 0 -4,-2.2 3,-1.4 -35,-0.1 53,-0.5 0.504 93.8 92.2-117.7 -9.6 -17.6 81.3 25.4 82 123 A G T 3< S+ 0 0 4 -4,-3.0 4,-0.3 -5,-0.4 3,-0.2 0.684 88.6 50.6 -61.3 -21.5 -18.9 84.8 26.4 83 124 A G T 3> S+ 0 0 0 -5,-0.3 4,-3.3 1,-0.1 -1,-0.3 0.570 82.4 93.1 -91.6 -9.9 -16.9 84.7 29.7 84 125 A N H <> S+ 0 0 0 -3,-1.4 4,-2.7 50,-0.3 5,-0.2 0.839 80.8 54.7 -59.5 -38.4 -13.5 83.8 28.2 85 126 A E H > S+ 0 0 78 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.958 117.3 36.2 -58.7 -52.5 -12.3 87.3 27.8 86 127 A I H > S+ 0 0 15 -4,-0.3 4,-1.8 2,-0.2 6,-0.2 0.908 114.0 55.9 -69.1 -44.6 -12.9 88.1 31.5 87 128 A Y H <>S+ 0 0 0 -4,-3.3 5,-2.4 1,-0.2 3,-0.5 0.959 111.8 45.4 -48.1 -52.0 -11.9 84.6 32.8 88 129 A K H ><5S+ 0 0 59 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.899 108.0 55.5 -60.9 -44.4 -8.5 85.1 31.0 89 130 A K H 3<5S+ 0 0 166 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.2 51.1 -56.9 -30.0 -8.1 88.7 32.4 90 131 A M T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.346 121.5-110.8 -87.7 2.8 -8.6 87.1 35.9 91 132 A G T < 5 + 0 0 63 -3,-2.0 -22,-0.2 1,-0.2 -3,-0.2 0.656 65.3 152.9 75.6 16.2 -5.9 84.5 35.1 92 133 A A < - 0 0 8 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.440 50.2-115.7 -73.1 149.5 -8.4 81.6 35.0 93 134 A E E -g 70 0A 89 -24,-2.5 -22,-2.8 -2,-0.1 2,-0.4 -0.839 32.0-154.4 -91.6 113.8 -7.5 78.6 32.9 94 135 A T E -g 71 0A 0 -2,-0.7 44,-2.2 -24,-0.2 2,-0.4 -0.762 13.4-174.7 -96.7 134.3 -10.1 78.3 30.1 95 136 A W E +gh 72 138A 35 -24,-2.6 -22,-3.2 -2,-0.4 2,-0.3 -0.959 13.2 147.4-127.7 142.6 -10.8 74.9 28.5 96 137 A S E - h 0 139A 0 42,-1.7 44,-1.4 -2,-0.4 -22,-0.1 -0.964 48.7 -83.2-153.9 172.7 -13.0 73.7 25.5 97 138 A S E > - h 0 140A 0 -24,-0.3 4,-1.9 -2,-0.3 44,-0.2 -0.380 41.8-113.3 -68.2 160.1 -13.0 71.1 22.9 98 139 A D H > S+ 0 0 63 42,-2.3 4,-2.6 1,-0.2 5,-0.1 0.889 119.0 53.3 -57.6 -41.3 -11.0 71.7 19.7 99 140 A L H > S+ 0 0 37 41,-0.3 4,-3.1 2,-0.2 5,-0.3 0.911 104.6 54.5 -65.3 -42.2 -14.2 71.9 17.8 100 141 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.9 45.2 -55.4 -47.8 -15.7 74.5 20.1 101 142 A K H X S+ 0 0 82 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.945 113.5 51.1 -61.4 -45.6 -12.7 76.8 19.5 102 143 A Q H X S+ 0 0 99 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 112.2 45.2 -57.3 -49.0 -12.8 76.1 15.8 103 144 A L H X S+ 0 0 25 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.844 110.2 54.0 -66.8 -36.3 -16.6 77.0 15.6 104 145 A R H X S+ 0 0 17 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.892 111.2 46.5 -61.3 -39.9 -16.1 80.1 17.7 105 146 A L H X S+ 0 0 85 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 113.5 48.4 -68.2 -44.9 -13.4 81.3 15.3 106 147 A E H X S+ 0 0 81 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.902 112.1 49.4 -58.2 -43.8 -15.6 80.5 12.2 107 148 A E H X S+ 0 0 29 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.882 109.0 51.4 -66.1 -41.3 -18.6 82.3 13.8 108 149 A N H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.940 112.0 47.8 -59.3 -45.6 -16.5 85.4 14.6 109 150AA K H X S+ 0 0 145 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.943 109.4 51.7 -63.2 -49.7 -15.2 85.5 11.0 110 150BA K H X S+ 0 0 121 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 113.4 46.9 -50.7 -44.7 -18.8 85.0 9.5 111 150CA D H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 109.0 51.8 -66.2 -42.2 -19.8 88.0 11.7 112 150DA R H X S+ 0 0 121 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.926 110.4 51.2 -61.9 -41.9 -16.9 90.2 10.7 113 150EA I H X S+ 0 0 87 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.946 111.3 46.3 -56.6 -52.2 -17.7 89.5 7.1 114 150FA K H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.866 109.5 54.9 -59.5 -39.1 -21.4 90.5 7.6 115 150GA A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.872 107.3 51.1 -62.6 -38.1 -20.3 93.6 9.5 116 150HA A H < S+ 0 0 57 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.893 112.3 44.9 -64.9 -44.0 -18.2 94.7 6.5 117 150IA E H < S+ 0 0 157 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.862 124.9 32.8 -67.4 -34.8 -21.1 94.2 4.0 118 150JA F H < S+ 0 0 53 -4,-2.1 -2,-0.2 -5,-0.2 2,-0.2 0.933 90.4 86.4 -92.8 -55.3 -23.6 96.1 6.3 119 151 A Y < + 0 0 18 -4,-2.1 3,-0.0 -5,-0.2 182,-0.0 -0.348 26.9 165.9 -71.4 127.6 -22.2 98.9 8.5 120 152 A K + 0 0 102 -2,-0.2 2,-0.8 1,-0.1 -1,-0.2 0.679 66.2 83.0 -98.8 -31.9 -21.9 102.4 7.2 121 153 A N > - 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